Molecule

ID:39711

General Information
Structure
Molecular Formula
C₈H₉N₃
Molecular Mass
147.17716
Exact Mass
147.0796473
Charge
0
InChI
InChI=1S/C8H9N3/c1-11-8-3-2-7(9)4-6(8)5-10-11/h2-5H,9H2,1H3
InChIKey
PYOFNPHTKBSXOM-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc2c(c1)cnn2C
Isomeric Smiles
n1n(c2c(c1)cc(cc2)N)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.58751935
LogD (pH = 7.4)
0.5910131
Log P
0.5910578
Molar Refractivity
55.9895
Polarizability
17.561903
Polar Surface Area
43.84
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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